For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

cp N,N-bis(3-Trifluoromethylbenzyl)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

cp N,N-bis(3-Trifluoromethylbenzyl)
SpectraBase Compound ID 1vWIivO4ovU
InChI InChI=1S/C29H29F6NO3/c1-37-25-15-19(16-26(38-2)27(25)39-24-9-10-24)11-12-36(17-20-5-3-7-22(13-20)28(30,31)32)18-21-6-4-8-23(14-21)29(33,34)35/h3-8,13-16,24H,9-12,17-18H2,1-2H3
InChIKey JMEFGRTYRQIZLW-UHFFFAOYSA-N
Mol Weight 553.55 g/mol
Molecular Formula C29H29F6NO3
Exact Mass 553.205163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7Xh0Ye7z0zD
Name cp N,N-bis(3-Trifluoromethylbenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 553.205162773 u
Formula C29H29F6NO3
InChI InChI=1S/C29H29F6NO3/c1-37-25-15-19(16-26(38-2)27(25)39-24-9-10-24)11-12-36(17-20-5-3-7-22(13-20)28(30,31)32)18-21-6-4-8-23(14-21)29(33,34)35/h3-8,13-16,24H,9-12,17-18H2,1-2H3
InChIKey JMEFGRTYRQIZLW-UHFFFAOYSA-N
Molecular Weight 553.545 g/mol
SMILES C1(=C(C=C(C=C1OC)CCN(CC=1C=C(C(F)(F)F)C=CC1)CC1=CC(C(F)(F)F)=CC=C1)OC)OC1CC1